国家/地区
关键词 DENSITY FUNCTIONAL THEORY（5）
出版物 JOURNAL OF MOLECULAR MODELING（5）
出版时间 2020（5）
机构
作者

First-principles studies of HF and HCl adsorption over graphene

JOURNAL OF MOLECULAR MODELING

RAN JW, HAO XG, LI K, WANG C, SONG X, SUN X, NING P

Effects of L-serine amino acid functionalization on electronic properties of a graphene plane in comparison with oxygen functionalization

JOURNAL OF MOLECULAR MODELING

PRASERT K, SUTTHIBUTPONG T

A density functional theory study of simplest nanocomposites formed by graphene oxide and polyvinyl alcohol: geometry, interaction energy and vibrational spectrum

JOURNAL OF MOLECULAR MODELING

GORB L, ILCHENKO M, LESZCZYNSKI J

Non-regular hexagonal 2D carbon, an allotrope of graphene: a first-principles computational study

JOURNAL OF MOLECULAR MODELING

IYAKUTTI K, SURYA VJ, LAKSHMI I, RAJESWARAPALANICHAMY R, KAWAZOE Y

A first principle study of the structural, electronic, and temperature-dependent thermodynamic properties of graphene/MoS2 heterostructure

JOURNAL OF MOLECULAR MODELING

HOSSAIN MT, RAHMAN MA